N-(2-{[1-(methanesulfonyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-(2-{[1-(methanesulfonyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)isoquinoline-1-carboxamide
N-(2-{[1-(methanesulfonyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | SB04-0065 |
| Compound Name: | N-(2-{[1-(methanesulfonyl)pyrrolidin-3-yl](oxan-4-yl)amino}ethyl)isoquinoline-1-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | CS(N1CCC(C1)N(CCNC(c1c2ccccc2ccn1)=O)C1CCOCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1486 |
| logD: | 1.1394 |
| logSw: | -2.4933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.602 |
| InChI Key: | MJSQZUVBMIJESZ-LJQANCHMSA-N |